Module A1.3 - Physical Chemistry

Week 1

14.10.2019

Introduction and overview

• history of thermodynamics
• definitions

First law of thermodynamics

• work and heat
• path dependence of work
• internal energy

Seminar

Week 2

21.10.2019

Thermochemistry

• standard enthalpy changes
• Hess’ law
• spontaneous reactions

Second law of thermodynamics

• dispersal of energy
• entropy
• Helmholtz and Gibbs energies

Physical transformations

• phase diagrams
• chemical potential

Week 3

28.10.2019

Transport phenomena

• osmosis
• dialysis
• diffusion
• Fick's law

31.10.2019 

Holiday

01.11.2019

Chemical equilibrium I

• equilibrium constant
• LeChatelier's principle
• Henderson-Hasselbalch equation

Week 4

04.11.2019

Seminar

07.11.2019 

Introduction to equilibrium electrochemistry I

• electrochemical reactions
• cell potential

08.11.2019

Seminar

Week 5

11.11.2019

Introduction to equilibrium electrochemistry II

• Nernst equation
• standard potential

Chemical kinetics

• empirical methods
• rates of reaction

Seminar

Week 6

18.11.2019

Rate laws of chemical reactions I

21.11.2019

Kinetics of complex reactions

22.11.2019

Week 7

25.11.2019

Seminar

28.11.2019

29.11.2019

Week 8

02.12.2019

05.12.2019

06.12.2019

Week 9

09.12.2019

Breakdown of classical mechanics

• black body radiation
• photoelectric effect
• Compton effect

12.12.2019

Waves and photons

• wave-particle duality
• Heisenberg uncertainty prionciple
• de Broglie relationship

13.12.2019

Week 10

16.12.2019

Basic principles of quantum mechanics

• Schrödinger equation
• wavefunction (Born interpretation)
• operator
• quantization

Methods & applications of quantum mechanics

• particle in a box
• harmonic oscillator

Week 11

06.01.2020

Atomic structure & spectra I

• hydrogen atom
• atomic spectra of hydrogen like atoms

Atomic structure & spectra II

• structure and spectra of multielectron atoms
• Pauli principle
• Hund’s rule

Seminar

Week 12

13.01.2020

Molecular structure I

• Born-Oppenheimer approximation
• valence bond theory (hybridization)

Molecular structure II

• variational principle
• perturbation theory

Week 13

20.01.2020

Molecular structure III

• molecular orbital theory
• linear combination of atomic orbitals

 Molecular structure IV

• Slater determinat
• Hückel approximation

Seminar

Week 14

27.01.2020

Hartree-Fock method I

• electron correlation

Hartree-Fock method II

• configuration interaction

Seminar

Week 15

03.02.2020

Density functional theory I

• Hohenberg-Kohn theorem

Density functional theory II

• Kohn-Sham approach

Seminar